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. 2019 Jan 3;11:1. doi: 10.1186/s13321-018-0323-6

Table 1.

RRT sets extracted used for RTSA validation

Template set Radius Support (minimum number of reaction examples per template) Size
RRT-0-1 0 1 83,942
RRT-0-10 0 10 7945
RRT-0-100 0 100 960
RRT-0-1000 0 1000 165
RRT-0-10000 0 10,000 21
RRT-1-1 1 1 180,862
RRT-1-10 1 10 14,567
RRT-1-100 1 100 1614
RRT-1-1000 1 1000 144
RRT-1-10,000 1 10,000 4
RRT-2-1 2 1 325,873
RRT-2-10 2 10 20,499
RRT-2-100 2 100 1264
RRT-2-1000 2 1000 57
RRT-2-10,000 2 10,000 3